AMBER Archive (2004)

Subject: Re: AMBER: pmemd.

From: David E. Konerding (
Date: Mon Aug 16 2004 - 11:27:02 CDT

Robert Duke wrote:

>Osman -
>2) The specific release of the intel fortran compiler, version 8, is
>probably bad (the internal error listed below leads to this conclusion).
>Prior to compiler release 8.0.046, intel apparently had problems allocating
>space for long module names, or some other such nonsense. Be sure you have
>downloaded version 8.0.046 from the intel site; later versions may or may
>not also work - the intel version 8 compiler, while producing faster code,
>has not been particularly stable (ie., the intel developers seem to
>introduce new bugs when they take out the old ones).

One more note here for ifort (Intel version 8) users:

I've been submitting bug reports to Intel's compiler team as we discover
problems with the compiler. So far, the first release of Intel Fortran
8 was
unable to compile PMEMD, with the error Osman noted:

fortcom: Severe: _ew_direct_cit_dat_.f90, line 82: **Internal compiler

error: segmentation violation signal raised** Please report this error along
with the circumstances in which it occurred in a Software Problem Report.

More recently, we discovered another problem-- the compiler would ICE
when attempting to compile
PMEMD with debugging enabled. So, I filed another bug fix request which
was fixed with the most
recent Intel Fortran 8 patch level.

When you do come across these problems with the Intel compiler, send
them my way with enough information for me
to duplicate it locally, then I can submit the report to Intel. I've got
a rapport with their higher-ups in the software
division so usually these bugs get acknowledged quickly. The time to fix
is still about a month or two, though.


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